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BioLiP

PDB CCD ID: 5G9
Number of entries in BioLiP: 2
Chemical formula: C17 H11 Cl N4 S
InChI: InChI=1S/C17H11ClN4S/c18-11-4-1-3-10(9-11)15-16(23-17(19)22-15)14-7-6-12-13(21-14)5-2-8-20-12/h1-9H,(H2,19,22)
InChIKey: JVXFJMXCRSAZFH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(cc(c1)Cl)c2c(sc(n2)N)c3ccc4c(n3)cccn4
CACTVS 3.385Nc1sc(c2ccc3ncccc3n2)c(n1)c4cccc(Cl)c4
ACDLabs 12.01n1c(ccc2ncccc12)c4c(c3cc(Cl)ccc3)nc(N)s4
Name:4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine;
GW780159X
ChEMBL: CHEMBL365663
ZINC: ZINC000013582004
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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